4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12.8379069543 stress="-3.890372054993053 0.2233064258119925 -0.19133984668616497 0.2233064258119925 -4.007413957590828 -0.09389687001744668 -0.19133984668616497 -0.09389687001744668 -4.8119236806433205" pbc="F F F" Mo -0.12320595 -0.04105180 0.20259391 -8.33817085 -6.30477196 -6.50936597 Mo 1.56504129 1.20865944 -0.13449789 6.37317725 4.64097985 -8.93080921 Mo 1.28802619 0.22277084 1.68584377 8.53383423 -8.63711057 10.28815291 Mo 0.18362810 1.69581920 1.64685009 -6.56884064 10.30090268 5.15202227